![3-[1-(2-Hydroxy-ethylamino)-ethylidene]-chroman-2,4-dione](/api/spectrum/CpUP54zBwcO/structure.png?h=300&w=458 "3-[1-(2-Hydroxy-ethylamino)-ethylidene]-chroman-2,4-dione")
| SpectraBase Compound ID | 175VjWczwzf |
|---|---|
| InChI | InChI=1S/C13H13NO4/c1-8(14-6-7-15)11-12(16)9-4-2-3-5-10(9)18-13(11)17/h2-5,14-15H,6-7H2,1H3/b11-8+ |
| InChIKey | RLUIENNINVVHFX-DHZHZOJOSA-N |
| Mol Weight | 247.25 g/mol |
| Molecular Formula | C13H13NO4 |
| Exact Mass | 247.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CpUP54zBwcO |
|---|---|
| Name | 3-[1-(2-Hydroxy-ethylamino)-ethylidene]-chroman-2,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.084457899 u |
| Formula | C13H13NO4 |
| InChI | InChI=1S/C13H13NO4/c1-8(14-6-7-15)11-12(16)9-4-2-3-5-10(9)18-13(11)17/h2-5,14-15H,6-7H2,1H3/b11-8+ |
| InChIKey | RLUIENNINVVHFX-DHZHZOJOSA-N |
| Molecular Weight | 247.250 g/mol |
| SMILES | C1(\C(C(C=2C(O1)=CC=CC2)=O)=C/(NCCO)C)=O |